SCHEMBL1326680

SCHEMBL1326680

CCOC(=O)/C=C/C1CCC(C(CCc2ccccc2)N(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HCAR2 Q8TDS4 1/20 0.39
CTSL P07711 3/20 0.38
CTSB P07858 3/20 0.38
LMNA P02545 2/20 0.38
MDM4 O15151 1/20 0.38
MDM2 Q00987 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
ACE P12821 2/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LTB4R Q15722 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1326681 1.00 MAPT (0.41) MAPTL3MBTL1SMN1; SMN2HCAR2CTSL
SCHEMBL4221595 0.82 ESR2 (0.46) MAPTL3MBTL1SMN1; SMN2LMNAACE
SCHEMBL1326845 0.80 MAPT (0.44) MAPTL3MBTL1SMN1; SMN2LMNAMDM4
SCHEMBL1326844 0.80 MAPT (0.44) MAPTL3MBTL1SMN1; SMN2LMNAMDM4
SCHEMBL493718 0.78 CHRNB2 (0.35) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1326606 0.77 ALOX5 (0.43) L3MBTL1SMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL493154 0.77 SMN1; SMN2 (0.45) MAPTL3MBTL1SMN1; SMN2LMNACHRNB2
SCHEMBL493155 0.75 SMN1; SMN2 (0.50) MAPTL3MBTL1SMN1; SMN2LMNACHRNB2
SCHEMBL2306988 0.75 KDM4E (0.36) CHRNB2CHRNB4CHRNA3CHRNA4LTB4R
SCHEMBL493236 0.75 KDM4E (0.36) CHRNB2CHRNB4CHRNA3CHRNA4LTB4R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US claimed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US disclosed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US disclosed
US-7589113-B2 Substituted oxadiazole compounds and their use as opioid receptor ligands GRUENENTHAL GMBH (DE) 2009-09-15 US disclosed
US-20090005427-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS OPIOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2009-01-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090005427-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS OPIOID RECEPTOR LIGANDS OPRM1, OPRD1, OPRK1 MAPT 3940/4885L3MBTL1 2114/4885SMN1; SMN2 1917/4885
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R MAPT 2278/4885L3MBTL1 4461/4885SMN1; SMN2 1867/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.